SCHEMBL3269261

SCHEMBL3269261

Fc1ccc(-c2nccc(N3CCNCC3)n2)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.57
CYP2C9 P11712 1/20 0.57
FAAH O00519 1/20 0.53
HRH3 Q9Y5N1 2/20 0.50
HSD17B10 Q99714 2/20 0.48
DPP4 P27487 2/20 0.45
ADRB1 P08588 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
USP2 O75604 1/20 0.43
HRH4 Q9H3N8 4/20 0.42
PRKCQ Q04759 1/20 0.41
PRKCD Q05655 1/20 0.41
CASP1 P29466 1/20 0.40
CASP4 P49662 1/20 0.40
CASP5 P51878 1/20 0.40
MGLL Q99685 1/20 0.40
NMT1 P30419 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3270026 0.80 NMT1 (0.58) FAAHDPP4ADRB1MGLLNMT1
Hydrochloric Acid SCHEMBL3269946 0.79 NMT1 (0.57) FAAHDPP4ADRB1MGLLNMT1
SCHEMBL3272268 0.79 CYP1A2 (0.64) CYP1A2CYP2C9HRH3HSD17B10ADRB1
Hydrochloric Acid SCHEMBL3274660 0.78 CYP1A2 (0.62) CYP1A2CYP2C9HRH3HSD17B10ADRB1
SCHEMBL3272680 0.77 FAAH (0.53) CYP1A2CYP2C9FAAHHSD17B10DPP4
SCHEMBL3267544 0.76 FAAH (0.53) FAAHDPP4ADRB1ALDH1A1CASP1
SCHEMBL31505927 0.75 CYP1A2 (0.75) CYP1A2CYP2C9HRH3HSD17B10ADRB1
SCHEMBL26985963 0.75 CYP1A2 (0.75) CYP1A2CYP2C9HRH3HSD17B10ADRB1
SCHEMBL3274902 0.75 FAAH (0.53) FAAHHRH4PLD1
SCHEMBL3275107 0.75 CYP1A2 (0.59) CYP1A2FAAHDPP4ADRB1ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100234389-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-16 US disclosed
EP-2199282-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-06-23 EP disclosed
US-20090163508-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100234389-A1 AMIDE COMPOUND FAAH, FAAH2, NAAA CYP1A2 728/4885CYP2C9 805/4885FAAH 1/4885
US-20090163508-A1 AMIDE COMPOUND FAAH, FAAH2, NAAA CYP1A2 728/4885CYP2C9 805/4885FAAH 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.